⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1027196 | 0.79 | — | — | |
| SCHEMBL21333512 | 0.79 | — | — | |
| SCHEMBL30500463 | 0.70 | HAO1 (0.38) | — | |
| SCHEMBL6042142 | 0.69 | NOTUM (0.77) | — | |
| SCHEMBL97207 | 0.67 | IMPDH2 (0.66) | — | |
| SCHEMBL97059 | 0.67 | AHR (0.50) | — | |
| SCHEMBL25825212 | 0.65 | NOTUM (0.42) | — | |
| SCHEMBL23986400 | 0.65 | — | — | |
| SCHEMBL9314832 | 0.65 | — | — | |
| SCHEMBL1521838 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | claimed |
| EP-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | claimed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | claimed |
| WO-2003024923-A1 | SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-03-27 | — | — | WO | claimed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | claimed |
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| EP-1446392-A1 | OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |
| WO-2003042197-A1 | OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-05-22 | — | — | WO | disclosed |
| WO-2003024923-A1 | SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-03-27 | — | — | WO | disclosed |